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DocumentationIdentifier: MM174358
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174358 |
| SMILES |
CC(CO)C(=O)C=CN
|
| InChIKey |
STFNNZUKFIXOGZ-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM412504
Similarity: 0.8846
Similarity to MM412504
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM412641
Similarity: 0.6765
Similarity to MM412641
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.807 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197247
Similarity: 0.6635
Similarity to MM197247
| Tanimoto metric | 0.6635 |
|---|---|
| Cosine metric | 0.7993 |
| Dice metric | 0.7977 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
